For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4,7,10,13,24,27,30,33,36-Decaoxa[13.13]-9,10-anthracenophane(AAO5O5)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,4,7,10,13,24,27,30,33,36-Decaoxa[13.13]-9,10-anthracenophane(AAO5O5)
SpectraBase Compound ID HC0vKtQSn7D
InChI InChI=1S/C44H48O10/c1-2-10-34-33(9-1)41-35-11-3-4-12-36(35)42(34)52-30-26-48-22-18-46-20-24-50-28-32-54-44-39-15-7-5-13-37(39)43(38-14-6-8-16-40(38)44)53-31-27-49-23-19-45-17-21-47-25-29-51-41/h1-16H,17-32H2
InChIKey WTDSLQRSLASIIL-UHFFFAOYSA-N
Mol Weight 736.9 g/mol
Molecular Formula C44H48O10
Exact Mass 736.324748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Ef2FYtZmA6
Name 1,4,7,10,13,24,27,30,33,36-Decaoxa[13.13]-9,10-anthracenophane(AAO5O5)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 736.324747736 u
Formula C44H48O10
InChI InChI=1S/C44H48O10/c1-2-10-34-33(9-1)41-35-11-3-4-12-36(35)42(34)52-30-26-48-22-18-46-20-24-50-28-32-54-44-39-15-7-5-13-37(39)43(38-14-6-8-16-40(38)44)53-31-27-49-23-19-45-17-21-47-25-29-51-41/h1-16H,17-32H2
InChIKey WTDSLQRSLASIIL-UHFFFAOYSA-N
SMILES C=12C=3C(=CC=CC3)C(=C3C1C=CC=C3)OCCOCCOCCOCCOC1=C3C(=C(OCCOCCOCCOCCO2)C=2C1=CC=CC2)C=CC=C3